3-甲基-2-(三丁基锡)吡啶 | 259807-97-1

• 物质功能分类: 有机原料 - 有机金属类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-甲基-2-(三丁基锡)吡啶
• 中文别名: 3-甲基-2-(三正丁基锡)吡啶；2-(三正丁基锡)-3-甲基吡啶
• 英文名称: 3-methyl-2-(tributylstannyl)pyridine
• 英文别名: tributyl-(3-methyl-2-pyridyl)stannane；tributyl-(3-methylpyridin-2-yl)stannane
• CAS: 259807-97-1
• 化学式: C₁₈H₃₃NSn
• 分子量: 382.177
• InChiKey: QWDWZQDTTVYOBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.45
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  6.1
• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Methyl-2-(tributylstannyl)pyridine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H312: Harmful in contact with skin
H315: Causes skin irritation
H319: Causes serious eye irritation
H372: Causes damage to organs through prolonged or repeated exposure
H400: Very toxic to aquatic life
H410: Very toxic to aquatic life with long lasting effects
P280: Wear protective gloves/protective clothing/eye protection/face protection
Avoid release to the environment
P273:
IF exposed or you feel unwell:
P309:
P310: Immediately call a POISON CENTER or doctor/physician

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Section 3. Composition/information on ingredients.
Ingredient name: 3-Methyl-2-(tributylstannyl)pyridine
CAS number: 259807-97-1

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels, refrigerated.

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C18H33NSn
Molecular weight: 382.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
UN Number: UN2788 Class: 6.1 Packing group: III
Proper shipping name: ORGANOTIN COMPOUNDS, LIQUID, N.O.S. (3-Methyl-2-(tributylstannyl)pyridine)

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-甲基-2-(三丁基锡)吡啶 在 bis-triphenylphosphine-palladium(II) chloride 、 tris-(dibenzylideneacetone)dipalladium(0) copper(l) iodide 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 9-(1-isopropylpiperidin-4-ylsulfanyl)-2-(3-methylpyridin-2-yl)-4,5-dihydro-6-oxa-1,3a-diazabenzo[e]azulene
  参考文献：
  名称：

  BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE

  摘要：

  本句翻译为中文是：苯并恶唑啉I型化合物，包括立体异构体、几何异构体、互变异构体、代谢物以及药学上可接受的盐，对于抑制PI3K的δ异构体以及治疗由脂质激酶介导的疾病如炎症、免疫疾病和癌症是有用的。公开了使用I型化合物公式进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中此类疾病或相关病理状况的方法。

  公开号：

  US20120245144A1
• 作为产物：
  描述：

  三丁基氯化锡 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.25h， 以79%的产率得到3-甲基-2-(三丁基锡)吡啶
  参考文献：
  名称：

  Acid secretion inhibitor

  摘要：

  本发明提供一种具有优越的抑制酸分泌作用并显示抗溃疡活性等的化合物。本发明提供一种由式(I)表示的化合物，其中R1是一种含氮的单环杂环基，可选择地与苯环或杂环缩合，该含氮的单环杂环基可选择地与苯环或杂环缩合，可选择地具有取代基，R2是可选择地取代的C6-14芳基，可选择地取代的噻吩基或可选择地取代的吡啶基，R3和R4分别是氢原子，或者R3和R4中的一个是氢原子，另一个是可选择地取代的较低烷基基团、酰基、卤原子、氰基或硝基，R5是烷基或其盐。

  公开号：

  US20070060623A1

文献信息

• [EN] 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS<br/>[FR] DÉRIVÉS DE 1-BENZYL-2-IMINO-4-PHÉNYL-5-OXOIMIDAZOLIDINE UTILISÉS EN TANT QU'INHIBITEURS DE LA PROTÉASE DU VIH
  申请人：GILEAD SCIENCES INC

  公开号：WO2019075291A1

  公开（公告）日：2019-04-18

  The invention provides a compound of Formula I: or a pharmaceutically acceptable salt thereof as described herin. The invention also provides pharmaceutical compositions comprising a compound of Formula I, processes for preparing compounds of Formula I, therapeutic methods for treating the proliferation of the HIV virus, treating AIDS or delaying the onset of AIDS symptoms in a mammal using compounds of Formula I.

  这项发明提供了一种如下式的化合物：或其药学上可接受的盐。该发明还提供了包含如下式化合物的药物组合物，制备如下式化合物的方法，使用如下式化合物治疗HIV病毒的增殖、治疗艾滋病或延缓哺乳动物艾滋病症状发作的治疗方法。
• SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS
  申请人：COATE Heather R.

  公开号：US20160046640A1

  公开（公告）日：2016-02-18

  The present invention is directed to compounds of Formula I: wherein ring A is phenyl, naphihalenyl, pyridyl, quinolinyl, isoquinolinyl, imidazopyridyl, furanyi, tlisazolyl, isoxazolvl, pyrazolyl, imidazothiazolyi, benzimidazolyl, or indazolyi; R 1 is H, alky], aikoxy, hydroxyalkylene, OH, halo, phenyl, triazolyl, oxazolyl, isoxazofyl, pyridyl, pyrimidinyl, pyrazinyl, pyridazmyl, piperazinyl, pyrazolyl, oxadiazolvl, pyrrolidinyl, thiophenyi, morpholinyl, or dialkyiamino; R 2 is H, alkyl, aikoxy, hydroxyalkylene, or halo; Z is NH, N-alkyl, or O; R 5 is pyridyl, pyrimidinyl, pyrazinyl, pyridazmyl, qumazolinyi, quinoxalinyl, pyrazolyl, benzoxazolyl, imidazopyrazinyl, triazolopyrazinyl, optionally substituted with a one or two substituents independently selected from the group consisting of alkyl, aikoxy, or halo; and n is 0 or 1, Methods of making the compounds of Formula 1 are also described. The invention also relates to pharmaceutical compositions comprising compounds of Formula I. Methods of using the compounds of the invention are also within the scope of the invention.

  本发明涉及式I的化合物：其中环A为苯基、萘基、吡啶基、喹啉基、异喹啉基、咪唑吡啉基、呋喃基、噻唑基、异噁唑基、吡唑基、咪唑噻唑基、苯并咪唑基或吲哚基；R1为H、烷基、烷氧基、羟基烷基、OH、卤素、苯基、三唑基、噁唑基、异噁唑基、吡啶基、嘧啶基、吡嗪基、吡啶并嗪基、哌嗪基、吡唑基、噁二唑基、吡咯烷基、噻吩基、吗啉基或二烷氨基；R2为H、烷基、烷氧基、羟基烷基或卤素；Z为NH、N-烷基或O；R5为吡啶基、嘧啶基、吡嗪基、吡啶并嗪基、喹唑啉基、喹喹啉基、吡唑基、苯并噁唑基、咪唑吡嗪基、三唑咪唑基，可选地取代一个或两个独立选择自烷基、烷氧基或卤素的基团；n为0或1，还描述了制备式I化合物的方法。本发明还涉及包含式I化合物的药物组合物。本发明还涉及使用该化合物的方法。
• [EN] SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN<br/>[FR] AMINO-HETEROCYCLES SUBSTITUES EN TANT QU'ANTAGONISTES DU VR-1 POUR TRAITER LA DOULEUR
  申请人：MERCK SHARP & DOHME

  公开号：WO2004074290A1

  公开（公告）日：2004-09-02

  The present invention provides compounds of formula I: in which: one of T1 and T4 is N and the other is C; T2 and T3 are independently N or C(CH2)nR2; X, Y and Z are independently N or C(CH2)nR3; R1 is Ar1 or R1 is C1-6alkyl optionally substituted with one or two groups Ar1; Ar1 is an optionally substituted cyclohexyl, piperidinyl, piperazinyl, morpholinyl, adamantyl, phenyl, naphthyl, a six-membered heteroaromatic ring containing one, two or three nitrogen atoms, a five-membered heteroaromatic ring containing one, two, three or four heteroatoms chosen from O, N and S, at most one O or S atom being present, or a nine- or ten-membered bicyclic heteroaromatic ring in which phenyl or a six-membered heteroaromatic ring as defined above is fused to a six-or five-membered heteroaromatic ring as defined above; Ar is an optionally substituted phenyl, a six-membered heteroaromatic ring containing one, two or three nitrogen atoms or a five-membered heteroaromatic ring containing one, two, three or four heteroatoms chosen from O, N and S, at most one heteroatom being O or S, Ar being optionally substituted by one, two or three groups chosen from halogen, CF3, OCF3, C1-6alkyl, C2-6alkenyl, C2-6alkynyl, nitro, cyano, isonitrile, hydroxy, C1-6alkoxy, C1-6alkylthio, -NR6R7, -CONR6R7, -COH, CO2H, C1-6alkoxycarbonyl, haloC1-6alkyl, hydroxyC1-6alkyl, aminoC1-6alkyl, C1-6alkylcarbonyl and a five-membered heteroaromatic ring containing one, two, three or four heteroatoms chosen from O, N and S, at most one heteroatom being O or S, optionally substituted by C1-6alkyl, halogen, amino, hydroxy or cyano; or a pharmaceutically acceptable salt thereof as a VR-1 ligand; pharmaceutical compositions comprising it; its use in therapy; use of it in the manufacture of a medicament to treat pain; and methods of treating subjects suffering from pain.

  本发明提供了式I的化合物：其中：T1和T4中的一个是N，另一个是C; T2和T3独立地是N或C（CH2）nR2; X，Y和Z独立地是N或C（CH2）nR3; R1是Ar1或R1是C1-6烷基，可选地取代一个或两个Ar1基团; Ar1是可选取代的环己基，哌啶基，哌嗪基，吗啉基，金刚烷基，苯基，萘基，一个六元杂环芳香环，其中含有一个，两个或三个氮原子，一个五元杂环芳香环，其中选择了一个，两个，三个或四个杂原子从O，N和S中选择，最多只有一个O或S原子存在，或一个九元或十元的双环杂芳香环，其中苯基或上述定义的六元杂环芳香环与上述定义的六元或五元杂环芳香环融合; Ar是可选取代的苯基，一个含有一个，两个或三个氮原子的六元杂环芳香环或一个含有一个，两个，三个或四个从O，N和S中选择的杂原子的五元杂环芳香环，最多只有一个杂原子是O或S，Ar可选地取代由卤素，CF3，OCF3，C1-6烷基，C2-6烯基，C2-6炔基，硝基，氰基，异腈基，羟基，C1-6烷氧基，C1-6烷基硫基，-NR6R7，-CONR6R7，-COH，CO2H，C1-6烷氧羰基，卤代C1-6烷基，羟基C1-6烷基，氨基C1-6烷基，C1-6烷基羰基和一个含有一个，两个，三个或四个从O，N和S中选择的杂原子的五元杂环芳香环，最多只有一个杂原子是O或S，可选地被C1-6烷基，卤素，氨基，羟基或氰基取代;或其药学上可接受的盐作为VR-1配体;包含它的制药组合物;其在治疗中的用途;将其用于制造治疗疼痛的药物;以及治疗患有疼痛的受试者的方法。
• Identification of a novel fluoropyrrole derivative as a potassium-competitive acid blocker with long duration of action
  作者：Haruyuki Nishida、Yasuyoshi Arikawa、Keizo Hirase、Toshihiro Imaeda、Nobuhiro Inatomi、Yasunobu Hori、Jun Matsukawa、Yasushi Fujioka、Teruki Hamada、Motoo Iida、Mitsuyoshi Nishitani、Akio Imanishi、Hideo Fukui、Fumio Itoh、Masahiro Kajino

  DOI：10.1016/j.bmc.2017.04.014

  日期：2017.7

  compounds synthesized, fluoropyrrole derivative 37c, which has a 2-F-3-Py group at the fifth position, lower pKa, and much lower ClogP and logD values than 1b dose, showed potent gastric-acid suppressive action resulting from gastric H+,K+-ATPase inhibition in animal models. Its maximum intragastric pH elevation effect was strong in rats, and its duration of action was much longer than that of either

  为了找到一种新型的，持久的钾竞争性酸阻滞剂（P-CAB），可以完全克服质子泵抑制剂（PPI）的局限性，我们尝试了以吡咯衍生物1b为先导化合物的各种方法。作为鉴定新药的综合方法的一部分，我们通过在吡咯环的5位引入极性杂芳族基团，探索了具有低亲脂性的出色化合物。在合成的化合物中，氟吡咯衍生物37c在第五位具有2-F-3-Py基团，其pKa较低，并且ClogP和logD值比1b剂量低，它们显示出有效的胃酸抑制作用，这是由于胃H + ，K + -ATPase在动物模型中的抑制。在大鼠中，其最大胃内pH升高作用很强，而且它的作用持续时间比兰索拉唑或铅化合物1b对狗的作用时间长得多。因此，化合物37c可以被认为是具有长效作用的有前途的新P-CAB。
• [EN] HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEUR UTILISATION POUR LE TRAITEMENT D'INFECTIONS ET DE MALADIES HELMINTHIQUES
  申请人：CELGENE CORP

  公开号：WO2020219871A1

  公开（公告）日：2020-10-29

  Provided herein are Heterocyclic compounds of formula (I): and pharmaceutically acceptable salts, tautomers, isotopologues, or stereoisomers thereof, wherein W, X, Y, R1, R2, and RN are as defined herein, compositions comprising an effective amount of a Heterocyclic Compound, and methods for treating or preventing animal and human filarial worm infections and diseases.

  本文提供了式（I）的杂环化合物及其药学上可接受的盐、互变异构体、同位素同分异构体或立体异构体，其中W、X、Y、R1、R2和RN如本文所定义，包括有效量的杂环化合物的组合物，以及治疗或预防动物和人类丝虫感染和疾病的方法。